Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
A recent theoretical study published in this journal has proposed a new definition of the unpaired electron density in molecular systems. This comment attempts to clarify the difference between the concept reported there and that of 'effectively' unpaired electron density. © 2003 Elsevier...
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| Autores principales: | , , , |
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| Formato: | JOUR |
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00092614_v380_n3-4_p486_Bochicchio |
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| Sumario: | A recent theoretical study published in this journal has proposed a new definition of the unpaired electron density in molecular systems. This comment attempts to clarify the difference between the concept reported there and that of 'effectively' unpaired electron density. © 2003 Elsevier B.V. All rights reserved. |
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